input word = C00056305

Metabolite InformationStructural formula
Name 5-Hexyl-2-thiopheneoctanoic acid
Formula C18H30O2S
Mw 310.19665093
CAS RN 1001228-59-6
C_ID C00056305
InChIKey IPHMYTYOJLRBNJ-UHFFFAOYSA-N
InChICode InChI=1S/C18H30O2S/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES CCCCCCC1=CC=C(CCCCCCCC(O)=O)S1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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